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  1. Third-Parties
  2. MatprojStructure
  3. mp-1201682

Entry Data

Table mix-ins: ['Structure', 'Thermodynamics'] Extra columns: ['energy_uncorrected', 'band_gap', 'is_gap_direct', 'is_magnetic', 'total_magnetization', 'is_theoretical']

Base Information:

  • Database Entry ID: mp-1201682
  • Created at: Sept. 4, 2022, 2:45 p.m.
  • Last updated at: Nov. 28, 2021, 1:37 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 48
  • Number of elements: 3
  • Element list: ['Sc', 'Fe', 'Ge']
  • Chemical System: Fe-Ge-Sc
  • Density: 6.552361401857576
  • Atomic Density: 0.06414027380719968
  • Unit Cell Volume: 748.3597613612316
  • Molar Volume: 9.389016295911135
  • Full Formula: Sc12 Fe12 Ge24
  • Reduced Formula: ScFeGe2
  • Formula Anonymous: ABC2
  • Spacegroup Number: 55
  • Spacegroup Symbol: Pbam
  • Crystal System: orthorhombic
  • Pointgroup: mmm

Thermodynamics:

  • Final energy: -314.27929574
  • Final energy per atom: -6.547485327916667
  • Energy above hull: None
  • Is thermodynamically stable?: None
  • Decomposes to: None
  • Formation energy None
  • Formation energy per atom: None
Note: stabilities and hull energies are updated on a running schedule, so newer materials may have these fields blank.